N',N'-dimethyl(tert-butoxy)carbohydrazide

• ChemBase ID: 88413
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: N(N(C)C)C(=O)OC(C)(C)C
• Canonical SMILES: CN(NC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)8-9(4)5/h1-5H3,(H,8,10)
• InChIKey: NVYQWPZWIICWNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N',N'-dimethyl(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N',N'-dimethyltert-butoxycarbohydrazide
• Synonyms: tert-Butyl 2,2-dimethylhydrazine-1-carboxylate; N,N-Dimethylhydrazine, N'-BOC protected

Database IDs

• CAS Number: 160513-29-1
• PubChem SID: 162075371
• PubChem CID: 21997772

CALCULATED PROPERTIES

• Acid pKa: 12.908027
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.51223093
• LogD (pH = 7.4): 0.5122554
• Log P: 0.5122569
• Molar Refractivity: 42.9885 cm^3
• Polarizability: 16.969986 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant